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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50273877'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50273877
PNG
(6-(4-Amino-phenyl)-7-hydroxy-1,3-dipropyl-1H-pyrro...)
Show SMILES CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1
Show InChI InChI=1S/C18H22N4O3/c1-3-9-21-15-14(17(24)22(10-4-2)18(21)25)20-13(16(15)23)11-5-7-12(19)8-6-11/h5-8,20,23H,3-4,9-10,19H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
19n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human cloned adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 16: 9780-9 (2008)


Article DOI: 10.1016/j.bmc.2008.09.067
BindingDB Entry DOI: 10.7270/Q21Z448B
More data for this
Ligand-Target Pair